SCHEMBL10639596

SCHEMBL10639596

Cc1ccc(S(=O)(=O)OCC2CCN(C(=O)OCc3ccc([N+](=O)[O-])cc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.56
F2 P00734 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 2/20 0.43
TNF P01375 1/20 0.43
RAB9A P51151 1/20 0.43
PAX8 Q06710 1/20 0.43
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
KMT2A Q03164 2/20 0.43
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10639380 0.87 KDM4E (0.49) GRIN2BF2KDM4EALDH1A1MAPT
SCHEMBL4828216 0.87 GRIN2B (0.61) GRIN2BKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL9854974 0.83 ALDH1A1 (0.47) GRIN2BF2KDM4EALDH1A1MAPT
SCHEMBL17063265 0.83 GRIN2B (0.57) GRIN2BKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL19475555 0.83 GRIN2B (0.57) GRIN2BKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL10385453 0.83 ALDH1A1 (0.58) GRIN2BKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL10816215 0.83 ALDH1A1 (0.44) ALDH1A1MAPTHPGDLMNANPC1
SCHEMBL19782422 0.82 GRIN2B (0.53) GRIN2BF2KDM4EALDH1A1MAPT
SCHEMBL29927194 0.82 GRIN2B (0.55) GRIN2BKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL13713047 0.81 SMN1; SMN2 (0.54) GRIN2BF2KDM4EALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4742052-A Antibacterial β-lactam compounds SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1988-05-03 US disclosed
EP-0070204-B1 CARBOXYLIC BETA-LACTAM COMPOUNDS AND THE PREPARATION THEREOF SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-11-19 EP disclosed
EP-0070204-A2 Carboxylic beta-lactam compounds and the preparation thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1983-01-19 EP disclosed